Geometry & MOs

Info

ID:	187781
PubChem CID:	77622456
Reduced:	FSO2N5H14C18 (1)
Stoich.:	ABC2D5E14F18 (1)
Weight, g/mol:	553.176834
ΔH_f, kcal/mol:	34.65
Dipole, Da:	9.39
IP(EA), eV:	-9.63(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-chloro-3-methoxyphenyl)-3-[2-(4-morpholin-4-ylphenoxy)ethyl]benzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C(=O)N=C3C2C=C(C=N3)F)C#N)C(=O)C4=CC=CS4

DOS

IR

Vibrations